CID 17723732

65740-56-9

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

COC1=CC2=C(C=C1N)NC(=O)N2

InChI

InChI=1S/C8H9N3O2/c1-13-7-3-6-5(2-4(7)9)10-8(12)11-6/h2-3H,9H2,1H3,(H2,10,11,12)

InChIKey

KIZFSHBBEAAUOZ-UHFFFAOYSA-N

Compound name

5-amino-6-methoxy-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 179.06947 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.07675	133.8
[M+Na]+	202.05869	145.4
[M-H]-	178.06219	134.1
[M+NH4]+	197.10329	152.9
[M+K]+	218.03263	140.8
[M+H-H2O]+	162.06673	127.6
[M+HCOO]-	224.06767	156.3
[M+CH3COO]-	238.08332	177.0
[M+Na-2H]-	200.04414	140.6
[M]+	179.06892	133.4
[M]-	179.07002	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe